SCHEMBL1252052

SCHEMBL1252052

CC(C)(C)OC(=O)NCCCC(=O)NCCc1n[nH]c(=O)c2c1CCCC2

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 14/20 0.49
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ GFER P55789 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1251204 0.94 PARP1 (0.50) PARP1NPSR1ALDH1A1GFER
SCHEMBL1252624 0.91 PARP1 (0.51) PARP1NPSR1ALDH1A1GFER
SCHEMBL1252129 0.89 PARP1 (0.49) PARP1NPSR1ALDH1A1GFER
SCHEMBL1252631 0.86 PARP1 (0.51) PARP1
SCHEMBL1251130 0.86 PARP1 (0.51) PARP1
SCHEMBL1249729 0.85 PARP1 (0.50) PARP1
SCHEMBL1251208 0.85 PARP1 (0.51) PARP1NPSR1ALDH1A1GFER
SCHEMBL1252510 0.84 PARP1 (0.52) PARP1
Hydrochloric Acid SCHEMBL1252654 0.79 PARP1 (0.45) PARP1CA1CA2
SCHEMBL1252020 0.78 PARP1 (0.47) PARP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2281818-A1 Fused pyridazine derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-02-09 — — EP disclosed
US-20080261947-A1 FUSED PYRIDAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. 2008-10-23 — — US disclosed
US-7402580-B2 Fused pyridazine derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-22 — — US disclosed
US-20050085476-A1 Fused pyridazine derivative compounds and drugs containing the compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-04-21 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050085476-A1 Fused pyridazine derivative compounds and drugs containing the compounds as the active ingredient MUSK, RNASE1, DPYD PARP1 4/4885CA1 4365/4885CA2 4402/4885
US-20080261947-A1 FUSED PYRIDAZINE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT MUSK, RNASE1, DPYD PARP1 4/4885CA1 4394/4885CA2 4449/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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